SCHEMBL3474527

SCHEMBL3474527

O=C(NCc1cccc(Cl)c1)c1ccc2cn(CC(C(=O)O)c3ccccc3)nc2c1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.64
LMNA P02545 1/20 0.48
MEN1 O00255 1/20 0.45
HCRTR1 O43613 1/20 0.45
KMT2A Q03164 1/20 0.45
DRD2 P14416 1/20 0.45
PTGER4 P35408 2/20 0.44
PPARG P37231 1/20 0.44
NPC1 O15118 1/20 0.44
PLAU P00749 1/20 0.44
KLKB1 P03952 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3473079 0.91 THRB (0.61) THRBLMNAMEN1HCRTR1KMT2A
SCHEMBL3473277 0.89 THRB (0.64) THRBLMNAMEN1HCRTR1KMT2A
SCHEMBL3473914 0.88 THRB (0.60) THRBLMNAKMT2ANPC1
SCHEMBL3472341 0.88 THRB (0.58) THRBLMNAMEN1HCRTR1KMT2A
SCHEMBL3478421 0.88 THRB (0.64) THRBLMNAMEN1HCRTR1KMT2A
SCHEMBL3474523 0.87 THRB (0.57) THRBLMNA
SCHEMBL3472073 0.86 THRB (0.55) THRBLMNADRD2PTGER4PPARG
SCHEMBL3470658 0.85 THRB (0.61) THRBLMNAMEN1HCRTR1KMT2A
SCHEMBL3472242 0.85 THRB (0.58) THRBLMNAMEN1HCRTR1KMT2A
SCHEMBL3931322 0.84 THRB (0.53) THRBLMNADRD2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105663-A1 2-(HETEROARYL) ALKYL INDAZOLE 6-PHENYL AND THIENYL METHYL AMIDE AS THROMBIN INHIBITORS BAYER HEALTHCARE AG (DE) 2010-04-29 US disclosed
US-20100105663-A1 2-(HETEROARYL) ALKYL INDAZOLE 6-PHENYL AND THIENYL METHYL AMIDE AS THROMBIN INHIBITORS BAYER HEALTHCARE AG (DE) 2010-04-29 US disclosed
US-20100105663-A1 2-(HETEROARYL) ALKYL INDAZOLE 6-PHENYL AND THIENYL METHYL AMIDE AS THROMBIN INHIBITORS BAYER HEALTHCARE AG (DE) 2010-04-29 US disclosed
EP-2044031-A1 2-(HETEROARYL) ALKYL INDAZOLE 6-PHENYL AND THIENYL METHYL AMIDE AS THROMBIN INHIBITORS Bayer HealthCare AG (DE) 2009-04-08 EP disclosed
WO-2008006479-A1 2-(HETEROARYL) ALKYL INDAZOLE 6-PHENYL AND THIENYL METHYL AMIDE AS THROMBIN INHIBITORS BAYER HEALTHCARE AG (DE) 2008-01-17 WO disclosed
WO-2008006479-A1 2-(HETEROARYL) ALKYL INDAZOLE 6-PHENYL AND THIENYL METHYL AMIDE AS THROMBIN INHIBITORS BAYER HEALTHCARE AG (DE) 2008-01-17 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100105663-A1 2-(HETEROARYL) ALKYL INDAZOLE 6-PHENYL AND THIENYL METHYL AMIDE AS THROMBIN INHIBITORS F2, TFPI, PLAT THRB 548/4885LMNA 1715/4885MEN1 2246/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.